1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine

C10H18N2S — CID 57130705

IUPAC1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine
SMILESCCC1CC(N2CCNCC2)=CS1
InChIInChI=1S/C10H18N2S/c1-2-10-7-9(8-13-10)12-5-3-11-4-6-12/h8,10-11H,2-7H2,1H3
InChIKeyJZZCHTMQYUINIX-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.65
Rot. Bonds2

About 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine

1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine (PubChem CID 57130705) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine.

Molecular Properties

Compound Name1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine
PubChem CID57130705
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine
SMILESCCC1CC(N2CCNCC2)=CS1
InChIInChI=1S/C10H18N2S/c1-2-10-7-9(8-13-10)12-5-3-11-4-6-12/h8,10-11H,2-7H2,1H3
InChIKeyJZZCHTMQYUINIX-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Ethylsulfanyl-2,3-dihydrothiophen-4-yl)piperazine
CID 53774133
1-(2-Cyclopropyl-2,3-dihydrothiophen-4-yl)piperazine
CID 54371005
1-(2-Methyl-2,3-dihydrothiophen-4-yl)piperazine
CID 57253267
2,5-Dimethylidene-3,6-bis(2-methylsulfanylethyl)piperazine
CID 70648151
(3S,5R)-3,5-dimethyl-1-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]piperazine
CID 71091273
1-(7-Methylsulfanylcyclohepta-1,3-dien-1-yl)piperazine
CID 142112945
2,3-dimethyl-4-piperidin-3-yl-2H-1,3-thiazole;methanamine
CID 143328727
1-[3-(2,3-Dihydrothiophen-2-yl)propyl]piperazine
CID 163907024
1-(3-Prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine
CID 166455970
2-Ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane
CID 167067608
N-methyl-1-(4-methylthiomorpholin-3-yl)pent-4-en-1-amine
CID 106444942
N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-3-en-1-amine
CID 106444952

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine?
The IUPAC name of 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine (CID 57130705) is 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine.
What is the SMILES notation for 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine?
The canonical SMILES for 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine is CCC1CC(N2CCNCC2)=CS1.
What is the InChIKey of 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine?
The InChIKey is JZZCHTMQYUINIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-10-7-9(8-13-10)12-5-3-11-4-6-12/h8,10-11H,2-7H2,1H3.
What are the key properties of 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine?
1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine has a molecular weight of 198.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2,3-dihydrothiophen-4-yl)piperazine is sourced from PubChem (CID 57130705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).